SCHEMBL9799531

SCHEMBL9799531

CCCCCN(C(=O)CCl)c1c(CC)cccc1CC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.68
TDP1 Q9NUW8 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
TP53 P04637 5/20 0.62
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
PAX8 Q06710 4/20 0.62
JAK2 O60674 2/20 0.62
ALDH1A1 P00352 7/20 0.59
GPX4 P36969 1/20 0.59
CYP3A4 P08684 1/20 0.53
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10517681 0.98 NR1I2 (0.67) NR1I2TDP1MEN1KMT2ATP53
SCHEMBL7274382 0.85 ALDH1A1 (0.70) NR1I2TDP1MEN1KMT2ATP53
SCHEMBL8734929 0.85 NR1I2 (0.85) NR1I2TDP1MEN1KMT2ATP53
SCHEMBL9614029 0.82 TP53 (0.71) NR1I2TDP1MEN1KMT2ATP53
Pretilachlor SCHEMBL63720 0.81 NR1I2 (1.00) NR1I2TDP1MEN1KMT2ATP53
Pretilachlor SCHEMBL7932522 0.81 NR1I2 (1.00) NR1I2TDP1MEN1KMT2ATP53
Alachlor SCHEMBL27741703 0.81 TP53 (0.82) NR1I2TDP1MEN1KMT2ATP53
SCHEMBL27976189 0.81 TP53 (0.69) NR1I2TDP1MEN1KMT2ATP53
SCHEMBL6907864 0.81 NR1I2 (0.75) NR1I2TDP1MEN1KMT2ATP53
SCHEMBL8204724 0.81 ALDH1A1 (0.71) NR1I2TDP1MEN1KMT2ATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4759789-A Treating locus of plant before or during application of herbicide with oxime ether compound CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
US-4698091-A 2-phenylpyrimidines, 2-naphthylpyrimidines and 2-heterocyclylpyrimidines as safeners for protecting cultivated plant against phytotoxic damage caused by herbicides CIBA-GEIGY CORPORATION (US) 1987-10-06 US disclosed
US-4648895-A ANTIDOTES CIBA-GEIGY CORPORATION (US) 1987-03-10 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed
EP-0092517-A1 Oxime ethers, process for their preparation, agents containing these compounds and their use CIBA-GEIGY AG (CH) 1983-10-26 EP disclosed